2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

C12H17ClN2O2S — CID 120947097

IUPAC2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CNCC1O)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O2S/c1-7(10-2-3-11(13)18-10)12(17)15-5-8-4-14-6-9(8)16/h2-3,7-9,14,16H,4-6H2,1H3,(H,15,17)
InChIKeyMIMFCGCMBBSQNS-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.20
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (PubChem CID 120947097) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
PubChem CID120947097
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CNCC1O)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O2S/c1-7(10-2-3-11(13)18-10)12(17)15-5-8-4-14-6-9(8)16/h2-3,7-9,14,16H,4-6H2,1H3,(H,15,17)
InChIKeyMIMFCGCMBBSQNS-UHFFFAOYSA-N
XLogP1.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide
CID 120948169
2-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510927
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
CID 71851839
3-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948373
2-(5-chlorothiophen-2-yl)-N-[(4S)-4-methoxypyrrolidin-3-yl]propanamide
CID 86780824
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
4-chloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 120948849
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111825737
2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944491
2-(5-chlorothiophen-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 111830053
N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119640650

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (CID 120947097) is 2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is CC(C(=O)NCC1CNCC1O)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The InChIKey is MIMFCGCMBBSQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-7(10-2-3-11(13)18-10)12(17)15-5-8-4-14-6-9(8)16/h2-3,7-9,14,16H,4-6H2,1H3,(H,15,17).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide has a molecular weight of 288.80 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 120947097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).